2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol

C11H23NOS — CID 117238981

IUPAC2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol
SMILESCSCC(O)C1CCN(C(C)C)CC1
InChIInChI=1S/C11H23NOS/c1-9(2)12-6-4-10(5-7-12)11(13)8-14-3/h9-11,13H,4-8H2,1-3H3
InChIKeyQXFHYLOFOJBWIL-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.83
Rot. Bonds4

About 2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol

2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol (PubChem CID 117238981) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol
PubChem CID117238981
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol
SMILESCSCC(O)C1CCN(C(C)C)CC1
InChIInChI=1S/C11H23NOS/c1-9(2)12-6-4-10(5-7-12)11(13)8-14-3/h9-11,13H,4-8H2,1-3H3
InChIKeyQXFHYLOFOJBWIL-UHFFFAOYSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol
CID 117238997
3-methylsulfanyl-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117238037
2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol
CID 117239485
1,4-di(propan-2-yl)piperidine
CID 21303253
1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 63908037
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
4-(1-hydroxy-2-methylsulfanylethyl)cyclohexan-1-one
CID 58562746
4-(1-iodoethyl)-1-propan-2-ylpiperidine
CID 126675083
ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 176573515
methane;1-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 158419714
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
2-(cyclopropylamino)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 117237105

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol?
The IUPAC name of 2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol (CID 117238981) is 2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol.
What is the SMILES notation for 2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol?
The canonical SMILES for 2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol is CSCC(O)C1CCN(C(C)C)CC1.
What is the InChIKey of 2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol?
The InChIKey is QXFHYLOFOJBWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-9(2)12-6-4-10(5-7-12)11(13)8-14-3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol?
2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol has a molecular weight of 217.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol is sourced from PubChem (CID 117238981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).